(-)-2'',6''-dimethoxy-2,2'-diphenyl-2,2'-dicyclohexanol | 169768-32-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (-)-2'',6''-dimethoxy-2,2'-diphenyl-2,2'-dicyclohexanol
• 英文别名: (1S,2S)-2-[[3-[[(1S,2S)-2-hydroxy-1-phenylcyclohexyl]oxymethyl]-2,5-dimethoxyphenyl]methoxy]-2-phenylcyclohexan-1-ol
• CAS: 169768-32-5
• 化学式: C₃₄H₄₂O₆
• 分子量: 546.704
• InChiKey: ZLJXJNZUDQAOGU-MKJGCKHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  二乙二醇二甲烷磺酸酯 、 (-)-2'',6''-dimethoxy-2,2'-diphenyl-2,2'-dicyclohexanol 在 sodium hydride 、 氟硼酸钾 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以40%的产率得到(4S,9S,17S,22S)-27,29-dimethoxy-4,22-diphenyl-3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(28),25(29),26-triene
  参考文献：
  名称：

  Synthesis of azophenolic crown ethers of C s symmetry incorporating cis-1-phenylcyclohexane-1,2-diol residues as a steric barrier and diastereotopic face selectivity in complexation of amines by their diastereotopic faces

  摘要：

  Azophenolic crown ethers 1 and 2 of C-s symmetry incorporating cis-1-phenylcyclohexane-1,2-diol residues as a steric barrier have been prepared. Diastereotopic face selectivity in complexation with 2-methoxyethylamine, n-propylamine and ethanolamine was examined using temperature-dependent H-1 NMR spectroscopy. Both bind ethanolamine stereoselectively to one of their diaseereotopic faces; the prediction of which diastereoisomeric complexwas preferentially formed is made on the basis of a CPK molecular-model examination ofthe complexes.

  DOI：

  10.1039/p19950001429
• 作为产物：
  描述：

  (S,S)-(+)-1-苯基环己烷-顺-1,2-二醇 在 盐酸 、 sodium hydride 、 对甲苯磺酸 、 lithium bromide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 37.0h， 生成 (-)-2'',6''-dimethoxy-2,2'-diphenyl-2,2'-dicyclohexanol
  参考文献：
  名称：

  Synthesis of azophenolic crown ethers of C s symmetry incorporating cis-1-phenylcyclohexane-1,2-diol residues as a steric barrier and diastereotopic face selectivity in complexation of amines by their diastereotopic faces

  摘要：

  Azophenolic crown ethers 1 and 2 of C-s symmetry incorporating cis-1-phenylcyclohexane-1,2-diol residues as a steric barrier have been prepared. Diastereotopic face selectivity in complexation with 2-methoxyethylamine, n-propylamine and ethanolamine was examined using temperature-dependent H-1 NMR spectroscopy. Both bind ethanolamine stereoselectively to one of their diaseereotopic faces; the prediction of which diastereoisomeric complexwas preferentially formed is made on the basis of a CPK molecular-model examination ofthe complexes.

  DOI：

  10.1039/p19950001429